2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methylpropane-1,3-diol

C10H21NO4 — CID 106658940

IUPAC2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)NC1COC(C)(C)OC1
InChIInChI=1S/C10H21NO4/c1-9(2)14-4-8(5-15-9)11-10(3,6-12)7-13/h8,11-13H,4-7H2,1-3H3
InChIKeyKXHMRZQSHMAQDI-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.53
Rot. Bonds4

About 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methylpropane-1,3-diol

2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methylpropane-1,3-diol (PubChem CID 106658940) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methylpropane-1,3-diol
PubChem CID106658940
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)NC1COC(C)(C)OC1
InChIInChI=1S/C10H21NO4/c1-9(2)14-4-8(5-15-9)11-10(3,6-12)7-13/h8,11-13H,4-7H2,1-3H3
InChIKeyKXHMRZQSHMAQDI-UHFFFAOYSA-N
XLogP-0.53
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methylpropane-1,3-diol (CID 106658940) is 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methylpropane-1,3-diol is CC(CO)(CO)NC1COC(C)(C)OC1.
What is the InChIKey of 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methylpropane-1,3-diol?
The InChIKey is KXHMRZQSHMAQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-9(2)14-4-8(5-15-9)11-10(3,6-12)7-13/h8,11-13H,4-7H2,1-3H3.
What are the key properties of 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methylpropane-1,3-diol?
2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methylpropane-1,3-diol has a molecular weight of 219.28 g/mol, XLogP of -0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methylpropane-1,3-diol is sourced from PubChem (CID 106658940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).